SCHEMBL515900

SCHEMBL515900

COn1c(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.72
ADORA2A P29274 3/20 0.72
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAOB P27338 3/20 0.56
MAOA P21397 2/20 0.56
HPGD P15428 1/20 0.51
PKM P14618 1/20 0.50
ALDH1A1 P00352 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4146728 0.84 ADORA2B (1.00) ADORA2BADORA2AHTTSMN1; SMN2MAOB
SCHEMBL515794 0.79 ADORA2B (0.74) ADORA2BADORA2AHTTSMN1; SMN2MAOB
SCHEMBL10616168 0.78 ADORA2B (0.72) ADORA2BADORA2AHTTSMN1; SMN2MAOB
SCHEMBL7030152 0.77 ADORA2B (0.70) ADORA2BADORA2AHTTSMN1; SMN2HPGD
SCHEMBL6835890 0.76 ADORA2B (0.68) ADORA2BADORA2AHTTSMN1; SMN2MAOB
SCHEMBL17626266 0.75 ADORA2B (0.67) ADORA2BADORA2ASMN1; SMN2HPGDALDH1A1
Diethylamine SCHEMBL11388706 0.73 ADORA2B (0.64) ADORA2BADORA2ASMN1; SMN2HPGDPKM
Diethylamine SCHEMBL11388925 0.72 ADORA2B (0.62) ADORA2BADORA2ASMN1; SMN2HPGDPKM
SCHEMBL683962 0.72 ADORA2B (0.62) ADORA2BADORA2AHTTSMN1; SMN2MAOB
SCHEMBL593805 0.72 ADORA2B (0.77) ADORA2BADORA2AMAOBHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0167566-A4 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. SUNSHINE ABRAHAM (US) 1987-06-29 EP claimed
EP-0165308-A4 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. RICHARDSON VICKS INC (US) 1986-05-16 EP claimed
US-4567183-A SYNERGISTIC, POTENTIATION ANALGESIC ASSOCIATES (US) 1986-01-28 US claimed
EP-0167566-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME SUNSHINE, Abraham (US) 1986-01-15 EP claimed
EP-0165308-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. RICHARDSON VICKS INC (US) 1985-12-27 EP claimed
US-4558051-A Analgesic and anti-inflammatory compositions comprising xanthines and methods of using same RICHARDSON-VICKS, INC. (US) 1985-12-10 US claimed
WO-1985002540-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME RICHARDSON-VICKS, INC. (US) 1985-06-20 WO claimed
WO-1985002542-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME SUNSHINE ABRAHAM 1985-06-20 WO claimed
US-20250386846-A1 Food Compositions Including Aragonite NANT HOLDINGS IP LLC (US) 2025-12-25 US disclosed
US-12419336-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2025-09-23 US disclosed
US-20250194654-A1 Beverage Compositions Including Calcium Supplied From Aragonite And Methods Of Making The Same NANT HOLDINGS IP, LLC 2025-06-19 US disclosed
US-12310392-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2025-05-27 US disclosed
US-20240381918-A1 Beverage Compositions Including Calcium Supplied From Aragonite And Methods Of Making The Same NANT HOLDINGS IP, LLC 2024-11-21 US disclosed
US-12089621-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2024-09-17 US disclosed
WO-2001093847-A2 COMPOSITIONS, KITS, AND METHODS FOR PROMOTING DEFINED HEALTH BENEFITS THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001093831-A2 LOW CARBOHYDRATE COMPOSITIONS, KITS THEREOF, AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001093833-A2 KITS AND METHODS FOR OPTIMIZING THE EFFICACY OF CHONDROPROTECTIVE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001093832-A2 AQUEOUS CHONDROPROTECTIVE COMPOSITIONS HAVING DEFINED DOSAGE REQUIREMENTS FOR EFFICACIOUS DELIVERY THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001093701-A2 AQUEOUS CHONDROPROTECTIVE COMPOSITIONS HAVING DEFINED PH LIMITATIONS FOR EFFICACIOUS DELIVERY THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001005253-A1 COMPOSITIONS, KITS, AND METHODS FOR PROVIDING AND MAINTAINING ENERGY AND MENTAL ALERTNESS THE PROCTER & GAMBLE COMPANY (US) 2001-01-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250386846-A1 Food Compositions Including Aragonite PLCG2, PLCG1, PLCB3 ADORA2B 1369/4885ADORA2A 2335/4885HTT 3517/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.